7-bromanyl-3-butyl-3-ethyl-8-methoxy-5-phenyl-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-bromanyl-3-butyl-3-ethyl-8-methoxy-5-phenyl-2H-1,5-benzothiazepin-4-one Openeye Name: 7-bromo-3-butyl-3-ethyl-8-methoxy-5-phenyl-2H-1,5-benzothiazepin-4-one CAS Name: 7-bromo-3-butyl-3-ethyl-8-methoxy-5-phenyl-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-bromo-3-butyl-3-ethyl-8-methoxy-5-phenyl-2H-1,5-benzothiazepin-4-one Traditional Name: 7-bromo-3-butyl-3-ethyl-8-methoxy-5-phenyl-2H-1,5-benzothiazepin-4-one Formula: C22H26BrNO2S MolecularWeight: 448.41634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=CC(=C(C=C2N(C1=O)C3=CC=CC=C3)Br)OC)CC

Isomeric SMILES

CCCCC1(CSC2=CC(=C(C=C2N(C1=O)C3=CC=CC=C3)Br)OC)CC

InChI

InChI=1S/C22H26BrNO2S/c1-4-6-12-22(5-2)15-27-20-14-19(26-3)17(23)13-18(20)24(21(22)25)16-10-8-7-9-11-16/h7-11,13-14H,4-6,12,15H2,1-3H3